Information card for entry 1544168

Structure parameters

• Formula: C30 H34 N0 O3
• Calculated formula: C30 H34 O3
• SMILES: c1(c(cc(cc1C(C)(C)C)C(=C(c1ccccc1)c1ccccc1)C(=O)OC)C(C)(C)C)O
• Title of publication: Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.
• Authors of publication: Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4888 - 4891
• a: 10.472 ± 0.004 Å
• b: 26.208 ± 0.011 Å
• c: 11.754 ± 0.005 Å
• α: 90°
• β: 100.641 ± 0.008°
• γ: 90°
• Cell volume: 3170 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No